3-[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-5-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-5-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-nitro-1,3-benzoxazol-2-one CAS Name: 3-[2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl]-5-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-5-nitro-1,3-benzoxazol-2-one Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C18H19N3O5/c1-10(2)20-11(3)7-14(12(20)4)16(22)9-19-15-8-13(21(24)25)5-6-17(15)26-18(19)23/h5-8,10H,9H2,1-4H3